CID 88956673

C6H11BO4 — CID 88956673

IUPAC—
SMILES[B][C@H](O)C(O)C1C(O)C1CO
InChIInChI=1S/C6H11BO4/c7-6(11)5(10)3-2(1-8)4(3)9/h2-6,8-11H,1H2/t2?,3?,4?,5?,6-/m1/s1
InChIKeyUXELEGQEKVZHSA-SQHQMROCSA-N
MW157.96 g/mol
LogP-2.57
Rot. Bonds3

About CID 88956673

CID 88956673 (PubChem CID 88956673) has the molecular formula C6H11BO4 and a molecular weight of 157.96 g/mol.

Molecular Properties

Compound NameCID 88956673
PubChem CID88956673
Molecular FormulaC6H11BO4
Molecular Weight157.96 g/mol
Exact Mass158.08
IUPAC Name—
SMILES[B][C@H](O)C(O)C1C(O)C1CO
InChIInChI=1S/C6H11BO4/c7-6(11)5(10)3-2(1-8)4(3)9/h2-6,8-11H,1H2/t2?,3?,4?,5?,6-/m1/s1
InChIKeyUXELEGQEKVZHSA-SQHQMROCSA-N
XLogP-2.57
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.96
LogP ≤ 5-2.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 88956673?
The IUPAC name of CID 88956673 (CID 88956673) is not available.
What is the SMILES notation for CID 88956673?
The canonical SMILES for CID 88956673 is [B][C@H](O)C(O)C1C(O)C1CO.
What is the InChIKey of CID 88956673?
The InChIKey is UXELEGQEKVZHSA-SQHQMROCSA-N. The full InChI is InChI=1S/C6H11BO4/c7-6(11)5(10)3-2(1-8)4(3)9/h2-6,8-11H,1H2/t2?,3?,4?,5?,6-/m1/s1.
What are the key properties of CID 88956673?
CID 88956673 has a molecular weight of 157.96 g/mol, XLogP of -2.57, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88956673 is sourced from PubChem (CID 88956673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).